ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H15N5O3 — CID 129097584

IUPACethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(N)nn2ccc(-c3cncc(OC)c3)nc12
InChIInChI=1S/C15H15N5O3/c1-3-23-15(21)12-13(16)19-20-5-4-11(18-14(12)20)9-6-10(22-2)8-17-7-9/h4-8H,3H2,1-2H3,(H2,16,19)
InChIKeyFVBXRHKUYLMNSW-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.56
Rot. Bonds4

About ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 129097584) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID129097584
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Nameethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(N)nn2ccc(-c3cncc(OC)c3)nc12
InChIInChI=1S/C15H15N5O3/c1-3-23-15(21)12-13(16)19-20-5-4-11(18-14(12)20)9-6-10(22-2)8-17-7-9/h4-8H,3H2,1-2H3,(H2,16,19)
InChIKeyFVBXRHKUYLMNSW-UHFFFAOYSA-N
XLogP1.56
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 129097584) is ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(N)nn2ccc(-c3cncc(OC)c3)nc12.
What is the InChIKey of ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is FVBXRHKUYLMNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-3-23-15(21)12-13(16)19-20-5-4-11(18-14(12)20)9-6-10(22-2)8-17-7-9/h4-8H,3H2,1-2H3,(H2,16,19).
What are the key properties of ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 313.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 129097584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).